Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 4/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.33 |
| ▸ | APP | P05067 | 2/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3350064 | 0.82 | CYP1A2 (0.43) | CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL19222561 | 0.80 | CYP1A2 (0.42) | CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL19222563 | 0.80 | SORD (0.46) | CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL16646215 | 0.72 | — | — | |
| SCHEMBL2745397 | 0.72 | — | — | |
| SCHEMBL28620829 | 0.72 | CYP1A2 (0.40) | CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL10065608 | 0.70 | CYP1A2 (0.47) | CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL2751436 | 0.70 | — | — | |
| SCHEMBL3298879 | 0.70 | S1PR4 (0.32) | — | |
| SCHEMBL30803768 | 0.70 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113302175-A | Bicyclic compounds | 维瓦斯治疗公司 | 2021-08-24 | — | — | CN | disclosed |